⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18814726 | 0.90 | — | — | |
| SCHEMBL24385335 | 0.90 | — | — | |
| SCHEMBL18544939 | 0.88 | — | — | |
| SCHEMBL18544990 | 0.88 | CYP1A1 (0.31) | — | |
| SCHEMBL18814755 | 0.84 | MEN1 (0.32) | — | |
| SCHEMBL18544998 | 0.84 | — | — | |
| SCHEMBL18545083 | 0.84 | KDM4E (0.34) | — | |
| SCHEMBL18544933 | 0.84 | — | — | |
| SCHEMBL18814613 | 0.84 | MEN1 (0.31) | — | |
| SCHEMBL22418077 | 0.83 | CYP1A1 (0.32) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018052244-A1 | ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING AN ELECTRON BUFFER LAYER AND AN ELECTRON TRANSPORT LAYER | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2018-03-22 | — | — | WO | disclosed |